Structure database (LMSD)

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LM IDLMSP02020011
Common NameCer(d18:0/24:1(15Z))
Systematic NameN-(15Z-tetracosenoyl)-sphinganine
SynonymsC24:1DH Cer; N-(15Z-tetracosenoyl)-dihydroceramide; N-(15Z-tetracosenoyl)-
dihydroceramide; N-nervonyl-sphinganine; Cer[NdS]
Exact Mass
649.6373 (neutral)    Calculate m/z:
FormulaC42H83NO3
CategorySphingolipids [SP]
Main ClassCeramides [SP02]
Sub ClassN-acylsphinganines (dihydroceramides) [SP0202]
PubChem CID5283576
HMDB IDHMDB0011769
SWISSLIPIDS IDSLM:000000609
InChIKeyYUULKFVZRXQHPM-ATHUGRIKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C42H83NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36
-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h17-18,40-4
1,44-45H,3-16,19-39H2,1-2H3,(H,43,46)/b18-17-/t40-,41+/m0/s1
SMILES[C@](CO)([H])(NC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)CCCCCCCCCCCCCCC
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms46Rings0Aromatic Rings0Rotatable Bonds38
 van der Waals
Molecular Volume
767.25Topological Polar
Surface Area
69.56Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
3
 logP13.54Molar
Refractivity
204.00